SCHEMBL7434388

SCHEMBL7434388

Nc1[nH]c(=O)n(Cc2ccccc2)c(=O)c1NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 4/20 0.67
NPSR1 Q6W5P4 1/20 0.67
USP2 O75604 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.49
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
TLR7 Q9NYK1 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4406872 0.83 ALDH1A1 (0.53) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL1945517 0.79 ALDH1A1 (0.57) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL24813862 0.74 KDM4E (0.58) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL1946059 0.74 ALDH1A1 (0.51) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL16028787 0.72 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL16298385 0.71 ALDH1A1 (0.47) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL6093649 0.71 KDM4E (0.80) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL3983281 0.71 NLRP3 (0.46) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3299074 0.71 HPGD (0.59) KDM4EMEN1KMT2AMAPTNPSR1
SCHEMBL2337883 0.70 HPGD (0.58) KDM4EMEN1KMT2AMAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed